CAS RN: 36094-52-7
CAS Name: 2-chloro-N-cyclohexyl-2-(3,5,7-trimethyl-1-adamantyl)acetamide
OPENEYE Name: 2-chloro-N-cyclohexyl-2-(3,5,7-trimethyl-1-adamantyl)acetamide
IUPAC Name: 2-chloro-N-cyclohexyl-2-(3,5,7-trimethyl-1-adamantyl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-cyclohexyl-2-(3,5,7-trimethyl-1-adamantyl)ethanamide
MOLECULAR FORMULA: C21H34ClNO
MOLECULAR WEIGHT: 351.95376
SMILES: CC12CC3(CC(C1)(CC(C2)(C3)C(C(=O)NC4CCCCC4)Cl)C)C
Structure:
CAS RN: 702-77-2
CAS Name: 1-bromo-3-methyladamantane
OPENEYE Name: 1-bromo-3-methyl-adamantane
IUPAC Name: 1-bromo-3-methyladamantane
SYSTEMATIC NAME: 1-bromanyl-3-methyl-adamantane
MOLECULAR FORMULA: C11H17Br
MOLECULAR WEIGHT: 229.15668
SMILES: CC12CC3CC(C1)CC(C3)(C2)Br
Structure:
CAS RN: 17768-32-0
CAS Name: 2-[3-(2-methoxy-2-oxoethyl)-5,7-dimethyl-1-adamantyl]acetic acid methyl ester
OPENEYE Name: methyl 2-[3-(2-methoxy-2-oxo-ethyl)-5,7-dimethyl-1-adamantyl]acetate
IUPAC Name: methyl 2-[3-(2-methoxy-2-oxoethyl)-5,7-dimethyl-1-adamantyl]acetate
SYSTEMATIC NAME: methyl 2-[3-(2-methoxy-2-oxidanylidene-ethyl)-5,7-dimethyl-1-adamantyl]ethanoate
MOLECULAR FORMULA: C18H28O4
MOLECULAR WEIGHT: 308.41252
SMILES: CC12CC3(CC(C1)(CC(C2)(C3)CC(=O)OC)CC(=O)OC)C
Structure:
CAS RN: 74916-51-1
CAS Name: 7-fluoro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine
OPENEYE Name: 7-fluoro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine
IUPAC Name: 7-fluoro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine
SYSTEMATIC NAME: 7-fluoranyl-1-oxidanyl-7H-1,2,4-benzotriazin-3-amine
MOLECULAR FORMULA: C7H7FN4O
MOLECULAR WEIGHT: 182.155083
SMILES: C1=CC2=NC(=NN(C2=CC1F)O)N
Structure:
CAS RN: 20138-01-6
CAS Name: 2-(tert-butylamino)-2-(3,5,7-trimethyl-1-adamantyl)acetic acid
OPENEYE Name: 2-(tert-butylamino)-2-(3,5,7-trimethyl-1-adamantyl)acetic acid
IUPAC Name: 2-(tert-butylamino)-2-(3,5,7-trimethyl-1-adamantyl)acetic acid
SYSTEMATIC NAME: 2-(tert-butylamino)-2-(3,5,7-trimethyl-1-adamantyl)ethanoic acid
MOLECULAR FORMULA: C19H33NO2
MOLECULAR WEIGHT: 307.47082
SMILES: CC12CC3(CC(C1)(CC(C2)(C3)C(C(=O)O)NC(C)(C)C)C)C
Structure:
CAS RN: 30675-03-7
CAS Name: 2-[3-[carboxy(chloro)methyl]-5,7-dimethyl-1-adamantyl]-2-chloroacetic acid
OPENEYE Name: 2-[3-[carboxy(chloro)methyl]-5,7-dimethyl-1-adamantyl]-2-chloro-acetic acid
IUPAC Name: 2-[3-[carboxy(chloro)methyl]-5,7-dimethyl-1-adamantyl]-2-chloroacetic acid
SYSTEMATIC NAME: 2-chloranyl-2-[3-(1-chloranyl-2-oxidanyl-2-oxidanylidene-ethyl)-5,7-dimethyl-1-adamantyl]ethanoic acid
MOLECULAR FORMULA: C16H22Cl2O4
MOLECULAR WEIGHT: 349.24948
SMILES: CC12CC3(CC(C1)(CC(C2)(C3)C(C(=O)O)Cl)C(C(=O)O)Cl)C
Structure:
CAS RN: 13437-93-9
CAS Name: 7-methylbicyclo[2.2.1]hepta-2,5-diene
OPENEYE Name: 7-methylbicyclo[2.2.1]hepta-2,5-diene
IUPAC Name: 7-methylbicyclo[2.2.1]hepta-2,5-diene
SYSTEMATIC NAME: 7-methylbicyclo[2.2.1]hepta-2,5-diene
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: CC1C2C=CC1C=C2
Structure:
CAS RN: 65003-07-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H22O3
MOLECULAR WEIGHT: 358.42968
SMILES: C1C2CC34CC5=CC=CC=C5CC3(CC2CC6=CC=CC=C61)C(=O)OC4=O
Structure:
CAS RN: 57595-29-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H14OS
MOLECULAR WEIGHT: 182.28256
SMILES: C1C=CCC23C1(COC2)CSC3
Structure:
CAS RN: 57595-35-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H13N3O3
MOLECULAR WEIGHT: 259.26062
SMILES: CN1C(=O)N2C3C4C5C4C(N2C1=O)C67C5C36COC7
Structure:
CAS RN: 81549-30-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H13N3O3
MOLECULAR WEIGHT: 295.29272
SMILES: C1C2C3C=CC(C2C1=O)N4N3C(=O)N(C4=O)C5=CC=CC=C5
Structure:
CAS RN: 53945-63-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H12N4O2
MOLECULAR WEIGHT: 304.30278
SMILES: C1=CC=C(C=C1)N2C(=O)N3C4C5C6C4C7(C6C5C7N3C2=O)C#N
Structure:
CAS RN: 53945-78-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H12FN3O2
MOLECULAR WEIGHT: 297.283783
SMILES: C1=CC=C(C=C1)N2C(=O)N3C4C5C6C5C(N3C2=O)C7(C6C47)F
Structure:
CAS RN: 53945-64-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H12FN3O2
MOLECULAR WEIGHT: 297.283783
SMILES: C1=CC=C(C=C1)N2C(=O)N3C4C5C6C4C7(C6C5C7N3C2=O)F
Structure:
CAS RN: 16609-38-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: C1CCC23CC=CCC2(C1)C(=O)NC3=O
Structure:
CAS RN: 38440-61-8
CAS Name: 9-bicyclo[4.2.1]nona-2,4,7-trienone oxime
OPENEYE Name: bicyclo[4.2.1]nona-2,4,7-trien-9-one oxime
IUPAC Name: N-(9-bicyclo[4.2.1]nona-2,4,7-trienylidene)hydroxylamine
SYSTEMATIC NAME: N-(9-bicyclo[4.2.1]nona-2,4,7-trienylidene)hydroxylamine
MOLECULAR FORMULA: C9H9NO
MOLECULAR WEIGHT: 147.17386
SMILES: C1=CC2C=CC(C2=NO)C=C1
Structure:
CAS RN: 53945-30-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H15N3O2
MOLECULAR WEIGHT: 293.3199
SMILES: CN1C(=O)N2C3C=CC(N2C1=O)C4C3C=C4C5=CC=CC=C5
Structure:
CAS RN: 55054-48-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: C1CC1C2=CC3C2C4C=CC3C5C4C(=O)OC5=O
Structure:
CAS RN: 29294-06-2
CAS Name: 9$l^{6}-thiabicyclo[4.2.1]nona-4,7-diene 9,9-dioxide
OPENEYE Name: 9$l^{6}-thiabicyclo[4.2.1]nona-4,7-diene 9,9-dioxide
IUPAC Name: 9$l^{6}-thiabicyclo[4.2.1]nona-4,7-diene 9,9-dioxide
SYSTEMATIC NAME: 9$l^{6}-thiabicyclo[4.2.1]nona-4,7-diene 9,9-dioxide
MOLECULAR FORMULA: C8H10O2S
MOLECULAR WEIGHT: 170.2288
SMILES: C1CC2C=CC(S2(=O)=O)C=C1
Structure:
CAS RN: 30114-59-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H13N3O2
MOLECULAR WEIGHT: 279.29332
SMILES: C1=CC=C(C=C1)N2C(=O)N3C4C5C6C5C(N3C2=O)C7C6C74
Structure:
CAS RN: 13131-19-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H11NO
MOLECULAR WEIGHT: 185.22184
SMILES: CN1C2C=CC(C1=O)C3=CC=CC=C23
Structure:
CAS RN: 4602-98-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H14O3
MOLECULAR WEIGHT: 278.30196
SMILES: C1=CC=C(C=C1)C2=CC3C2C4C=CC3C5C4C(=O)OC5=O
Structure:
CAS RN: 53945-57-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H12N4O2
MOLECULAR WEIGHT: 304.30278
SMILES: C1=CC=C(C=C1)N2C(=O)N3C4C5C6C4C7C6(C5C7N3C2=O)C#N
Structure:
CAS RN: 6580-47-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H14O2
MOLECULAR WEIGHT: 262.30256
SMILES: COC(=O)C12C3C1C4=CC=CC=C4C2C5=CC=CC=C35
Structure:
CAS RN: 81599-81-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H13N3O3
MOLECULAR WEIGHT: 295.29272
SMILES: C1=CC=C(C=C1)N2C(=O)N3C4C=CC(N3C2=O)C5C4C6C5O6
Structure:
CAS RN: 6522-52-7
CAS Name: 9$l^{6}-thiabicyclo[4.2.1]non-7-ene 9,9-dioxide
OPENEYE Name: 9$l^{6}-thiabicyclo[4.2.1]non-7-ene 9,9-dioxide
IUPAC Name: 9$l^{6}-thiabicyclo[4.2.1]non-7-ene 9,9-dioxide
SYSTEMATIC NAME: 9$l^{6}-thiabicyclo[4.2.1]non-7-ene 9,9-dioxide
MOLECULAR FORMULA: C8H12O2S
MOLECULAR WEIGHT: 172.24468
SMILES: C1CCC2C=CC(C1)S2(=O)=O
Structure:
CAS RN: 55975-65-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H27NO4
MOLECULAR WEIGHT: 537.60388
SMILES: CN1C2(C3C(C1(OC2=O)C4=CC=CC=C4)C(=O)C5C(C3=O)C6C7=CC=CC=C7C5C8=CC=CC=C68)C9=CC=CC=C9
Structure:
CAS RN: 58541-30-3
CAS Name: 5-bicyclo[3.2.1]octanyl(phenyl)methanone
OPENEYE Name: 5-bicyclo[3.2.1]octanyl(phenyl)methanone
IUPAC Name: 5-bicyclo[3.2.1]octanyl(phenyl)methanone
SYSTEMATIC NAME: 5-bicyclo[3.2.1]octanyl(phenyl)methanone
MOLECULAR FORMULA: C15H18O
MOLECULAR WEIGHT: 214.30282
SMILES: C1CC2CCC(C1)(C2)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 63525-26-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H12O4
MOLECULAR WEIGHT: 232.23198
SMILES: CC12CC(C(=O)C3=C1C=C(C=C3)OC)OC2=O
Structure:
CAS RN: 1015-14-1
CAS Name: 4-bicyclo[2.2.1]heptanyl(phenyl)methanone
OPENEYE Name: norbornan-1-yl(phenyl)methanone
IUPAC Name: 4-bicyclo[2.2.1]heptanyl(phenyl)methanone
SYSTEMATIC NAME: 4-bicyclo[2.2.1]heptanyl(phenyl)methanone
MOLECULAR FORMULA: C14H16O
MOLECULAR WEIGHT: 200.27624
SMILES: C1CC2(CCC1C2)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 58541-27-8
CAS Name: 4-bicyclo[2.2.2]octanyl(phenyl)methanone
OPENEYE Name: 4-bicyclo[2.2.2]octanyl(phenyl)methanone
IUPAC Name: 4-bicyclo[2.2.2]octanyl(phenyl)methanone
SYSTEMATIC NAME: 4-bicyclo[2.2.2]octanyl(phenyl)methanone
MOLECULAR FORMULA: C15H18O
MOLECULAR WEIGHT: 214.30282
SMILES: C1CC2(CCC1CC2)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 58541-21-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H22O
MOLECULAR WEIGHT: 254.36668
SMILES: C1CC2(CC3CC1CC(C3)C2)C(=O)C4=CC=CC=C4
Structure:
CAS RN: 25867-84-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H10Br2O3
MOLECULAR WEIGHT: 362.014
SMILES: C1COC2(O1)C3C4C5C2(C6C5C(C36)(C4=O)Br)Br
Structure:
CAS RN: 92964-61-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H12O2
MOLECULAR WEIGHT: 236.26528
SMILES: C1C2C=CC1C3=C2C(=O)C4=C(C3=O)C5CC4C=C5
Structure:
CAS RN: 36476-00-3
CAS Name: 9-nitroso-9-azabicyclo[4.2.1]nona-2,4,7-triene
OPENEYE Name: 9-nitroso-9-azabicyclo[4.2.1]nona-2,4,7-triene
IUPAC Name: 9-nitroso-9-azabicyclo[4.2.1]nona-2,4,7-triene
SYSTEMATIC NAME: 9-nitroso-9-azabicyclo[4.2.1]nona-2,4,7-triene
MOLECULAR FORMULA: C8H8N2O
MOLECULAR WEIGHT: 148.16192
SMILES: C1=CC2C=CC(N2N=O)C=C1
Structure:
CAS RN: 27663-97-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H21NO4
MOLECULAR WEIGHT: 315.36364
SMILES: CC1=C2C(=C(C=C1)C)C3(C(=C(C2(N3)C)C(=O)OC)C(=O)OC)C
Structure:
CAS RN: 59368-16-0
CAS Name: 6-(bromomethyl)pteridine-2,4-diamine
OPENEYE Name: 6-(bromomethyl)pteridine-2,4-diamine
IUPAC Name: 6-(bromomethyl)pteridine-2,4-diamine
SYSTEMATIC NAME: 6-(bromomethyl)pteridine-2,4-diamine
MOLECULAR FORMULA: C7H7BrN6
MOLECULAR WEIGHT: 255.07468
SMILES: C1=C(N=C2C(=NC(=NC2=N1)N)N)CBr
Structure:
CAS RN: 64332-71-4
CAS Name: 4-(6-chloro-9-purinyl)-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: 4-(6-chloropurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: 4-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: 4-(6-chloranylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C10H11ClN4O3
MOLECULAR WEIGHT: 270.67234
SMILES: C1C(C(C(O1)CO)O)N2C=NC3=C2N=CN=C3Cl
Structure:
CAS RN: 64332-72-5
CAS Name: 4-(6-ethoxy-9-purinyl)-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: 4-(6-ethoxypurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: 4-(6-ethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: 4-(6-ethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C12H16N4O4
MOLECULAR WEIGHT: 280.27984
SMILES: CCOC1=NC=NC2=C1N=CN2C3COC(C3O)CO
Structure:
CAS RN: 64332-70-3
CAS Name: 4-[(5-amino-6-chloro-4-pyrimidinyl)amino]-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: 4-[(5-amino-6-chloro-pyrimidin-4-yl)amino]-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: 4-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C9H13ClN4O3
MOLECULAR WEIGHT: 260.67752
SMILES: C1C(C(C(O1)CO)O)NC2=C(C(=NC=N2)Cl)N
Structure:
CAS RN: 68575-22-4
CAS Name: 4-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide
OPENEYE Name: 4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide
IUPAC Name: 4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxamide
SYSTEMATIC NAME: 4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-2-carboxamide
MOLECULAR FORMULA: C26H28N2O10
MOLECULAR WEIGHT: 528.50792
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)N)O)N)O
Structure:
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